SCHEMBL3368281

SCHEMBL3368281

CCC(NC(=O)NCc1ccccc1)c1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TACR1 P25103 2/20 0.39
FPR2 P25090 3/20 0.38
NAMPT P43490 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
SORT1 Q99523 1/20 0.37
TP53 P04637 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3366611 0.91 PPID (0.42) PTGDR2TACR1FPR2NAMPTLMNA
SCHEMBL3364260 0.85 PTGDR2 (0.40) PTGDR2RXRARXRBRXRGTACR1
SCHEMBL3366526 0.84 CTSA (0.41) PTGDR2LMNA
SCHEMBL140541 0.84 PTGDR2 (0.48) PTGDR2RXRARXRBRXRGTBXA2R
SCHEMBL153051 0.83 PTGDR2 (0.43) PTGDR2RXRARXRBRXRGTACR1
SCHEMBL1922881 0.83 PTGDR2 (0.41) PTGDR2RXRARXRBRXRGNAMPT
SCHEMBL138451 0.82 PTGDR2 (0.62) PTGDR2TBXA2RPTGDR
SCHEMBL156551 0.82 PTGDR2 (0.42) PTGDR2RXRARXRBRXRGTBXA2R
SCHEMBL1922393 0.82 PTGDR2 (0.46) PTGDR2RXRARXRBRXRGTBXA2R
SCHEMBL153692 0.81 PTGDR2 (0.41) PTGDR2RXRARXRBRXRGTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US claimed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO claimed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885RXRA 308/4885RXRB 285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.